SCHEMBL7158317

SCHEMBL7158317

OCc1c[nH]c(-c2ccc(C(F)(F)F)c(F)c2)n1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 10/20 0.54
CYP11B2 P19099 9/20 0.45
CYP11B1 P15538 6/20 0.45
KCNH2 Q12809 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7157340 0.82 NOTUM (0.48)
SCHEMBL7248333 0.77 GFER (0.46) KIF11KCNH2
SCHEMBL7159559 0.76 ALDH1A1 (0.47)
SCHEMBL7162384 0.75 GRIN2B (0.38) KCNH2
SCHEMBL26500690 0.75 SMN1; SMN2 (0.39)
SCHEMBL7257360 0.72 DGAT1 (0.38)
SCHEMBL1686268 0.71 KIF11 (0.54) KIF11CYP11B2CYP11B1
SCHEMBL4880561 0.71 NR1H2 (0.42)
SCHEMBL4114372 0.70 KIF11 (0.52) KIF11CYP11B2CYP11B1
SCHEMBL7249223 0.70 CYP3A4 (0.32)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1358165-A1 IMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-11-05 EP disclosed
WO-2002060877-A1 IMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-08-08 WO disclosed